Materials Data on MgMn3Te4 by Materials Project

doi:10.17188/1758160

Title: Materials Data on MgMn3Te4 by Materials Project

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Abstract

MgMn3Te4 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight equivalent MnTe4 tetrahedra. All Mg–Te bond lengths are 2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight MnTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.77 Å) Mn–Te bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Te2- atoms to form corner-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.78 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mn2+ atoms to form corner-sharing TeMn4 tetrahedra. In the second Te2- site, Te2- is bonded to two equivalent Mg2+ and two equivalent Mn2+ atoms to form corner-sharing TeMg2Mn2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1221976

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; MgMn3Te4; Mg-Mn-Te

OSTI Identifier:: 1758160

DOI:: https://doi.org/10.17188/1758160

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                    The Materials Project. Materials Data on MgMn3Te4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758160.

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                    The Materials Project. Materials Data on MgMn3Te4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758160

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                    The Materials Project. 2020.  
"Materials Data on MgMn3Te4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758160.  https://www.osti.gov/servlets/purl/1758160. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758160,

  title        = {Materials Data on MgMn3Te4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgMn3Te4 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight equivalent MnTe4 tetrahedra. All Mg–Te bond lengths are 2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight MnTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.77 Å) Mn–Te bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Te2- atoms to form corner-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.78 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mn2+ atoms to form corner-sharing TeMn4 tetrahedra. In the second Te2- site, Te2- is bonded to two equivalent Mg2+ and two equivalent Mn2+ atoms to form corner-sharing TeMg2Mn2 tetrahedra.},

  doi          = {10.17188/1758160},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758160

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